Quinovic acid 3-O-glucoside

Datasheet MSDS
Catalog Number
ANC05131
Product Name
Quinovic acid 3-O-glucoside
Structure
Quinovic acid 3-O-glucoside
CAS Number
79955-41-2
IUPAC Name
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Synonyms
Quinovicacid3-O-beta-D-glucoside; Quinovicacid3-O-glucoside
Molecular Formula
C36H56O10
Molecular Weight
648.8
Appearance
Powder
Purity
93%
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O
InChI
InChI=1S/C36H56O10/c1-18-9-14-35(30(41)42)15-16-36(31(43)44)20(25(35)19(18)2)7-8-23-33(5)12-11-24(32(3,4)22(33)10-13-34(23,36)6)46-29-28(40)27(39)26(38)21(17-37)45-29/h7,18-19,21-29,37-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1
InChI Key
AXNXSFBKZQIMPF-ZZZTYRQWSA-N
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